Found 55 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
Reactome pathway
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| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
Reactome pathway
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
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| PC cid
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
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| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 13.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM81773
(BAM 1303 | BAM-1303 | CAS_115219-10-8)Show SMILES CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r| Show InChI InChI=1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16-,19-,22-/m1/s1 | PDB
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| 18.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
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| 18.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 21.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
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| 24.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50020192
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) | PDB
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| 28.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50030623
(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)Show SMILES [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1 Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM81773
(BAM 1303 | BAM-1303 | CAS_115219-10-8)Show SMILES CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r| Show InChI InChI=1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16-,19-,22-/m1/s1 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM30993
(Ajmalicine | MLS000111555 | Raubasine | SMR0001074...)Show SMILES COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4| Show InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50020192
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM81773
(BAM 1303 | BAM-1303 | CAS_115219-10-8)Show SMILES CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r| Show InChI InChI=1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16-,19-,22-/m1/s1 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50020192
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50020192
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50030623
(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)Show SMILES [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1 Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3 | PDB
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| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50030623
(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)Show SMILES [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1 Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50030623
(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)Show SMILES [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1 Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM81773
(BAM 1303 | BAM-1303 | CAS_115219-10-8)Show SMILES CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r| Show InChI InChI=1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16-,19-,22-/m1/s1 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM81772
(ARC-239 | CAS_122211 | NSC_122211)Show SMILES COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1 Show InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM30993
(Ajmalicine | MLS000111555 | Raubasine | SMR0001074...)Show SMILES COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4| Show InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM30993
(Ajmalicine | MLS000111555 | Raubasine | SMR0001074...)Show SMILES COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4| Show InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM81772
(ARC-239 | CAS_122211 | NSC_122211)Show SMILES COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1 Show InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3 | PDB
Reactome pathway
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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MMDB
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| PubMed
| 722 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 913 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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antibodypedia
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| 996 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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| 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM30993
(Ajmalicine | MLS000111555 | Raubasine | SMR0001074...)Show SMILES COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4| Show InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 | PDB
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| 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(RABBIT) | BDBM81772
(ARC-239 | CAS_122211 | NSC_122211)Show SMILES COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1 Show InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC cid
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo SmithKline Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 219-25 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3R9D |
More data for this
Ligand-Target Pair | |
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